Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.3357    0.0640   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    0.5902   -0.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060   -0.0832   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0645   -1.2079    0.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445    0.4881   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973   -0.1743    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963   -0.6350    0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6769   -0.4903   -1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0163    0.9361   -0.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5835    1.4556   -0.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920   -1.1598    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4991    0.2167    0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers